Identification

PhytoHub ID
PHUB000137
Name
Matricin
Systematic Name
Not Available
Synonyms
Not Available
CAS Number
Not Available
Average Mass
306.358
Monoisotopic Mass
306.146723808
Chemical Formula
C17H22O5
IUPAC Name
9-hydroxy-3,6,9-trimethyl-2-oxo-3H,3aH,4H,5H,9aH,9bH-azuleno[4,5-b]furan-4-yl acetate
InChI Key
SYTRJRUSWMMZLV-UHFFFAOYNA-N
InChI Identifier
InChI=1/C17H22O5/c1-8-7-12(21-10(3)18)13-9(2)16(19)22-15(13)14-11(8)5-6-17(14,4)20/h5-6,9,12-15,20H,7H2,1-4H3
SMILES
CC1C2C(OC1=O)C1C(C=CC1(C)O)=C(C)CC2OC(C)=O
Structure

Calculated Properties

Solubility (ALOGPS)
8.96e-01 g/l
LogS (ALOGPS)
-2.53
LogP (ALOGPS)
1.84
Hydrogen Acceptors
3
Hydrogen Donors
1
Rotatable Bond Count
2
Polar Surface Area
72.83000000000001
Refractivity
80.54149999999998
Polarizability
31.95338416497454
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-3.133392285683159
pKa (strongest acidic)
14.235042785360863
Number of Rings
3
Rule of Five
Yes
Bioavailability
Yes
Ghose Filter
Yes
Veber's Rule
No
MDDR-like Rule
No

Taxonomy as Precursor

Family
Terpenoids
Class
Sesquiterpenoids
Sub-class
Not Available

Spectra

No spectra information available

Food Sources

NameGroup
Chamomile teaTeas and herbal teas PublicationsShow

Food Sources of its Precursor(s)

No food source information available of its precursor(s)

Metabolism

No metabolism information available

Inter-Individual Variations Metabolism

No inter-individual variations available

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